1-piperidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one

C13H23F3N2O — CID 115518643

IUPAC1-piperidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one
SMILESCC(NCCCCC(F)(F)F)C(=O)N1CCCCC1
InChIInChI=1S/C13H23F3N2O/c1-11(12(19)18-9-5-2-6-10-18)17-8-4-3-7-13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyUXUPUAXTPVGDST-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.71
Rot. Bonds6

About 1-piperidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one

1-piperidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one (PubChem CID 115518643) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one
PubChem CID115518643
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name1-piperidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one
SMILESCC(NCCCCC(F)(F)F)C(=O)N1CCCCC1
InChIInChI=1S/C13H23F3N2O/c1-11(12(19)18-9-5-2-6-10-18)17-8-4-3-7-13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyUXUPUAXTPVGDST-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-pyrrolidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one
CID 113323218
2-(5-hydroxypentylamino)-1-piperidin-1-ylpropan-1-one
CID 113408435
1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one
CID 43089165
5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid
CID 103262840
1-(azepan-1-yl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]propan-1-one
CID 106176934
N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]acetamide
CID 43397981
ethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate
CID 95358497
(2R)-2-(2-methoxyethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 7437225
N-[2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]ethyl]acetamide
CID 43397982
N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]methanesulfonamide
CID 43545989
1-(azepan-1-yl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]propan-1-one
CID 114515642

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one?
The IUPAC name of 1-piperidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one (CID 115518643) is 1-piperidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one is CC(NCCCCC(F)(F)F)C(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one?
The InChIKey is UXUPUAXTPVGDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-11(12(19)18-9-5-2-6-10-18)17-8-4-3-7-13(14,15)16/h11,17H,2-10H2,1H3.
What are the key properties of 1-piperidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one?
1-piperidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one has a molecular weight of 280.33 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one is sourced from PubChem (CID 115518643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).